CID 160551

7-aminodesmethylflunitrazepam

Structural Information

Molecular Formula
C15H12FN3O
SMILES
C1C(=O)NC2=C(C=C(C=C2)N)C(=N1)C3=CC=CC=C3F
InChI
InChI=1S/C15H12FN3O/c16-12-4-2-1-3-10(12)15-11-7-9(17)5-6-13(11)19-14(20)8-18-15/h1-7H,8,17H2,(H,19,20)
InChIKey
IWZVUERQZJRRPL-UHFFFAOYSA-N
Compound name
7-amino-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

269.09644 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.10372 159.3
[M+Na]+ 292.08566 167.7
[M-H]- 268.08916 163.2
[M+NH4]+ 287.13026 172.4
[M+K]+ 308.05960 166.2
[M+H-H2O]+ 252.09370 150.4
[M+HCOO]- 314.09464 177.0
[M+CH3COO]- 328.11029 169.8
[M+Na-2H]- 290.07111 164.3
[M]+ 269.09589 152.4
[M]- 269.09699 152.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe